N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide

C25H17Cl2FN4O — CID 118212638

IUPACN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2cnc3ccc(Cl)cc3c2)c1
InChIInChI=1S/C25H17Cl2FN4O/c26-18-1-2-23-16(7-18)5-14(11-30-23)6-19-8-15(3-4-29-19)25(33)32-12-17-9-20-21(27)13-31-24(20)10-22(17)28/h1-5,7-11,13,31H,6,12H2,(H,32,33)
InChIKeyLRUSUFGKIZOKQY-UHFFFAOYSA-N
MW479.34 g/mol
LogP6.08
Rot. Bonds5

About N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 118212638) has the molecular formula C25H17Cl2FN4O and a molecular weight of 479.34 g/mol. Its IUPAC name is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID118212638
Molecular FormulaC25H17Cl2FN4O
Molecular Weight479.34 g/mol
Exact Mass478.08
IUPAC NameN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2cnc3ccc(Cl)cc3c2)c1
InChIInChI=1S/C25H17Cl2FN4O/c26-18-1-2-23-16(7-18)5-14(11-30-23)6-19-8-15(3-4-29-19)25(33)32-12-17-9-20-21(27)13-31-24(20)10-22(17)28/h1-5,7-11,13,31H,6,12H2,(H,32,33)
InChIKeyLRUSUFGKIZOKQY-UHFFFAOYSA-N
XLogP6.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.34
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

Gsk983
CID 11416123
N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1H-indole-3-carboxamide
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N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1H-indole-3-carboxamide
CID 11465667
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indole-3-carboxamide
CID 11465956
N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}-1H-indole-3-carboxamide
CID 11669798
(R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide
CID 77068209
cis-3-chloro-N-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
CID 44432577
N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide
CID 63718419
Porcupine-IN-1
CID 132578555
(3-chloro-4-fluorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298375
(3,4-dichlorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298410
Gsk984
CID 11472829

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide (CID 118212638) is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide is O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2cnc3ccc(Cl)cc3c2)c1.
What is the InChIKey of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is LRUSUFGKIZOKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2FN4O/c26-18-1-2-23-16(7-18)5-14(11-30-23)6-19-8-15(3-4-29-19)25(33)32-12-17-9-20-21(27)13-31-24(20)10-22(17)28/h1-5,7-11,13,31H,6,12H2,(H,32,33).
What are the key properties of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide?
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 479.34 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroquinolin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118212638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).